UCSF

ZINC19482204

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 Yes

Popular Name: 2-Amino-N-(3-methylphenyl)propanamide hydrochloride 2-Amino-N-(3-methylphenyl)propan…

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CAS Numbers: 1236261-20-3 , N/A , [1236261-20-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.75 2.17 -47.29 4 3 1 57 179.243 2 ↓
Hi High (pH 8-9.5) 0.75 1.86 -10.49 3 3 0 55 178.235 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )